[(E)-[amino-[4-(1,3-dithiolan-2-yl)phenyl]methylidene]amino] 3-(4-fluorophenoxy)propanoate

Formula:C19H19N2O3FS2 Mutagenic:high Tumorigenic:none Reproductive Effective:low [(E)-[amino-[4-(1,3-dithiolan-2-yl)phenyl]methylidene]amino] 3-(4-fluorophenoxy)propanoate is a drug-like molecule.

MolName	[(E)-[amino-[4-(1,3-dithiolan-2-yl)phenyl]methylidene]amino] 3-(4-fluorophenoxy)propanoate
MolecularFormula	C19H19N2O3FS2
Smiles	N/C(/c1ccc(C2SCCS2)cc1)=N/OC(CCOc(cc1)ccc1F)=O
InChI	InChI=1S/C19H19FN2O3S2/c20-15-5-7-16(8-6-15)24-10-9-17(23)25-22-18(21)13-1-3-14(4-2-13)19-26-11-12-27-19/h1-8,19H,9-12H2,(H2,21,22)
InChIK	HEQNFAFTNQMNCA-UHFFFAOYSA-N
TotalMolweight	406.501
Molweight	406.501
MonoisotopicMass	406.082111
CLogP	3.8258
CLogS	-5.057
H Acceptors	5
H Donors	1
TotalSurfaceArea	297.63
Relative PSA	0.31852
PolarSurfaceArea	124.51
Druglikeness	-8.3588
Mutagenic	high
Tumorigenic	none
Reproductive Effective	low
Irritant	high
Nasty Functions
Shape Index	0.7037
Fragments	1
Non HAtoms	27
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	8
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	9
Symmetricatoms	6
StereoCon

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1 - [(E)-[amino-[4-(1,3-dithiolan-2-yl)phenyl]methylidene]amino] 3-(4-fluorophenoxy)propanoate | 2 - [(E)-[amino-[4-(1,3-dithiolan-2-yl)phenyl]methylidene]amino] 3-(4-fluorophenoxy)propanoate

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